Chem
J-GLOBAL ID：200907008609974479   Nikkaji number：J782.500E

Samaderine B

サマデリンB
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C19H22O7
Molecular formula furigana： C19-H22-O7
Molecular weight： 362.378
InChI： InChI=1S/C19H22O7/c1-7-4-9(20)14(23)17(2)8(7)5-10(21)19-6-25-18(3)13(19)16(24)26-15(18)11(22)12(17)19/h4,8,11-15,22-23H,5-6H2,1-3H3/t8-,11+,12+,13-,14+,15-,17-,18-,19+/m0/s1
InChI key： CVLVYBSPYHCGGU-VQXUUFQGSA-N
SMILES： CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1CC(=O)[C@@]13CO[C@]4(C)[C@@H](OC(=O)[C@H]14)[C@H](O)[C@H]23
Systematic name  (3)：
  • (14S)-1β,11β-ジヒドロキシ-8,11aβ,14-トリメチル-1,7,7aα,11,11a,11bα-ヘキサヒドロ-2H-5aβ,2β,5β-(メタノキシメテノ)ナフト[1,2-d]オキセピン-4,6,10(5H)-トリオン
  • (1R,4S,5R,8S,9R,10R,11S,12S,16S)-9,12-ジヒドロキシ-4,11,15-トリメチル-3,7-ジオキサペンタシクロ[8.8.0.01,5.04,8.011,16]オクタデカ-14-エン-6,13,18-トリオン
  • (1R,4S,5R,8S,9R,10R,11S,12S,16S)-9,12-dihydroxy-4,11,15-trimethyl-3,7-dioxapentacyclo[8.8.0.01,5.04,8.011,16]octadec-14-ene-6,13,18-trione
Other name (3)：
  • サマデリンB
  • Samaderine B
  • (14S)-1β,11β-Dihydroxy-8,11aβ,14-trimethyl-1,7,7aα,11,11a,11bα-hexahydro-2H-5aβ,2β,5β-(methanoxymetheno)naphth[1,2-d]oxepin-4,6,10(5H)-trione
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